N'-hydroxy-2-(3-hydroxybutan-2-ylsulfanyl)pyridine-4-carboximidamide

C10H15N3O2S — CID 136829662

IUPACN'-hydroxy-2-(3-hydroxybutan-2-ylsulfanyl)pyridine-4-carboximidamide
SMILESCC(O)C(C)Sc1cc(/C(N)=N/O)ccn1
InChIInChI=1S/C10H15N3O2S/c1-6(14)7(2)16-9-5-8(3-4-12-9)10(11)13-15/h3-7,14-15H,1-2H3,(H2,11,13)
InChIKeyZMHRLSIQVRIFSG-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.04
Rot. Bonds4

About N'-hydroxy-2-(3-hydroxybutan-2-ylsulfanyl)pyridine-4-carboximidamide

N'-hydroxy-2-(3-hydroxybutan-2-ylsulfanyl)pyridine-4-carboximidamide (PubChem CID 136829662) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is N'-hydroxy-2-(3-hydroxybutan-2-ylsulfanyl)pyridine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(3-hydroxybutan-2-ylsulfanyl)pyridine-4-carboximidamide
PubChem CID136829662
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC NameN'-hydroxy-2-(3-hydroxybutan-2-ylsulfanyl)pyridine-4-carboximidamide
SMILESCC(O)C(C)Sc1cc(/C(N)=N/O)ccn1
InChIInChI=1S/C10H15N3O2S/c1-6(14)7(2)16-9-5-8(3-4-12-9)10(11)13-15/h3-7,14-15H,1-2H3,(H2,11,13)
InChIKeyZMHRLSIQVRIFSG-UHFFFAOYSA-N
XLogP1.04
TPSA91.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-hydroxybutan-2-ylsulfanyl)pyridine-4-carboximidamide
CID 107770746
N'-hydroxy-3-(3-hydroxybutan-2-ylsulfanyl)pyridine-2-carboximidamide
CID 136829663
N'-hydroxy-2-(3-hydroxybutan-2-ylsulfanyl)quinoline-4-carboximidamide
CID 136829654
N'-hydroxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboximidamide
CID 136925035
N'-hydroxy-3-(3-hydroxybutan-2-ylsulfanyl)pyridazine-4-carboximidamide
CID 136829666
2-fluoro-N'-hydroxypyridine-4-carboximidamide
CID 137242090
N'-hydroxy-2-(methylamino)pyridine-4-carboximidamide
CID 155272131
2-[(4-chlorophenyl)methylsulfanyl]-N'-hydroxypyridine-4-carboximidamide
CID 136981715
N'-hydroxy-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboximidamide
CID 136932356
3-[(2-methyl-4-pyridinyl)sulfanyl]butan-2-ol
CID 107771098
2-(2,2-difluoroethoxy)-N'-hydroxypyridine-4-carboximidamide
CID 155271721
4-(3-hydroxybutan-2-ylsulfanyl)pyridine-2-carboximidamide
CID 107770761

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(3-hydroxybutan-2-ylsulfanyl)pyridine-4-carboximidamide?
The IUPAC name of N'-hydroxy-2-(3-hydroxybutan-2-ylsulfanyl)pyridine-4-carboximidamide (CID 136829662) is N'-hydroxy-2-(3-hydroxybutan-2-ylsulfanyl)pyridine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(3-hydroxybutan-2-ylsulfanyl)pyridine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(3-hydroxybutan-2-ylsulfanyl)pyridine-4-carboximidamide is CC(O)C(C)Sc1cc(/C(N)=N/O)ccn1.
What is the InChIKey of N'-hydroxy-2-(3-hydroxybutan-2-ylsulfanyl)pyridine-4-carboximidamide?
The InChIKey is ZMHRLSIQVRIFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-6(14)7(2)16-9-5-8(3-4-12-9)10(11)13-15/h3-7,14-15H,1-2H3,(H2,11,13).
What are the key properties of N'-hydroxy-2-(3-hydroxybutan-2-ylsulfanyl)pyridine-4-carboximidamide?
N'-hydroxy-2-(3-hydroxybutan-2-ylsulfanyl)pyridine-4-carboximidamide has a molecular weight of 241.32 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(3-hydroxybutan-2-ylsulfanyl)pyridine-4-carboximidamide is sourced from PubChem (CID 136829662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).